[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon

C23H25ArN3O6S — CID 160822391

IUPAC[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon
SMILES[Ar].[C-]#[N+]c1ccc(C(=O)c2cnc(N[C@H]3OC(COC(C)=O)[C@@H](C)[C@H](C)C3OC(C)=O)s2)cc1
InChIInChI=1S/C23H25N3O6S.Ar/c1-12-13(2)21(31-15(4)28)22(32-18(12)11-30-14(3)27)26-23-25-10-19(33-23)20(29)16-6-8-17(24-5)9-7-16;/h6-10,12-13,18,21-22H,11H2,1-4H3,(H,25,26);/t12-,13-,18?,21?,22-;/m0./s1
InChIKeySFSGKUSDRUPANM-RVPCRLINSA-N
MW511.48 g/mol
LogP3.83
Rot. Bonds7

About [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon

[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon (PubChem CID 160822391) has the molecular formula C23H25ArN3O6S and a molecular weight of 511.48 g/mol. Its IUPAC name is [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon.

Molecular Properties

Compound Name[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon
PubChem CID160822391
Molecular FormulaC23H25ArN3O6S
Molecular Weight511.48 g/mol
Exact Mass511.11
IUPAC Name[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon
SMILES[Ar].[C-]#[N+]c1ccc(C(=O)c2cnc(N[C@H]3OC(COC(C)=O)[C@@H](C)[C@H](C)C3OC(C)=O)s2)cc1
InChIInChI=1S/C23H25N3O6S.Ar/c1-12-13(2)21(31-15(4)28)22(32-18(12)11-30-14(3)27)26-23-25-10-19(33-23)20(29)16-6-8-17(24-5)9-7-16;/h6-10,12-13,18,21-22H,11H2,1-4H3,(H,25,26);/t12-,13-,18?,21?,22-;/m0./s1
InChIKeySFSGKUSDRUPANM-RVPCRLINSA-N
XLogP3.83
TPSA108.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5R,6S)-3,4,5-triacetyloxy-6-[[5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate
CID 118265059
2-[[(2R,3R,4S,5S)-6-[(5-benzoyl-1,3-thiazol-2-yl)amino]-3,4,5-tris(2-deuterio-2-oxoethoxy)oxan-2-yl]methoxy]-1-deuterioethanone
CID 141402829
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(3S,4S,6S)-5-acetyloxy-6-(4-fluorophenoxy)-3,4-dimethyloxan-2-yl]methyl acetate
CID 71182084
[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(4-methylanilino)oxan-2-yl]methyl acetate
CID 7152596
[(2S,3S,4S,5R)-5-acetyloxy-6-(2-aminophenoxy)-3,4-dimethyloxan-2-yl]methyl acetate
CID 163689508
[(3S,4S,6S)-5-acetyloxy-6-(2-fluorophenoxy)-3,4-dimethyloxan-2-yl]methyl acetate
CID 71182074
[(2R,3R,4S)-3,4-diacetyloxy-5-[(2-fluoro-7H-purin-6-yl)amino]oxolan-2-yl]methyl acetate
CID 22869876
[(3S,4S,6S)-5-acetyloxy-6-[2-(acetyloxymethyl)-4-tritiophenoxy]-3,4-dimethyloxan-2-yl]methyl acetate
CID 163495145
[(2S,3S,4S,5R,6R)-5-acetyloxy-6-[(2R,3S,4S,5R,6S)-5-acetyloxy-2-(acetyloxymethyl)-6-(2,3-dihydroxyphenoxy)-4-methyloxan-3-yl]oxy-3,4-dimethyloxan-2-yl]methyl acetate
CID 58275190
[(3S,4S,6S)-5-acetyloxy-6-[(3S,4S,6R)-5-acetyloxy-6-[(3S,4S,6S)-5-acetyloxy-2-(acetyloxymethyl)-4,6-dimethyloxan-3-yl]oxy-2-(acetyloxymethyl)-4-methyloxan-3-yl]oxy-3,4-dimethyloxan-2-yl]methyl acetate
CID 126550256
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]oxan-2-yl]methyl acetate
CID 122234276

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon?
The IUPAC name of [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon (CID 160822391) is [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon.
What is the SMILES notation for [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon?
The canonical SMILES for [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon is [Ar].[C-]#[N+]c1ccc(C(=O)c2cnc(N[C@H]3OC(COC(C)=O)[C@@H](C)[C@H](C)C3OC(C)=O)s2)cc1.
What is the InChIKey of [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon?
The InChIKey is SFSGKUSDRUPANM-RVPCRLINSA-N. The full InChI is InChI=1S/C23H25N3O6S.Ar/c1-12-13(2)21(31-15(4)28)22(32-18(12)11-30-14(3)27)26-23-25-10-19(33-23)20(29)16-6-8-17(24-5)9-7-16;/h6-10,12-13,18,21-22H,11H2,1-4H3,(H,25,26);/t12-,13-,18?,21?,22-;/m0./s1.
What are the key properties of [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon?
[(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon has a molecular weight of 511.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,6S)-5-acetyloxy-6-[[5-(4-isocyanobenzoyl)-1,3-thiazol-2-yl]amino]-3,4-dimethyloxan-2-yl]methyl acetate;argon is sourced from PubChem (CID 160822391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).